| SpectraBase Compound ID | 3zmaAZ0nZik |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-5(2)8-4-6(3)7/h5H,4H2,1-3H3 |
| InChIKey | SICINPWJIHTHON-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 28VoIymEUbb |
|---|---|
| Name | 2-HEXANONE, 1,1,3,3,5-PENTADEUTERO-5-METHYL-4-OXA- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H7D5O2 |
| InChI | InChI=1S/C6H12O2/c1-5(2)8-4-6(3)7/h5H,4H2,1-3H3 |
| InChIKey | SICINPWJIHTHON-UHFFFAOYSA-N |
| Instrument Name | CH7 |
| Molecular Weight | 116.0834 |
| SMILES | CC(COC(C)C)=O |
| SPLASH | splash10-0007-9000000000-d117a7fb83732488a10e |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |